Commit c34665a0 authored by Malthe Kjær Bisbo's avatar Malthe Kjær Bisbo
Browse files

fixed potential error due to empty training data passed to GPR

parent ac1916cb
......@@ -35,7 +35,7 @@
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......@@ -417,7 +417,7 @@ info-dict of structures, on which the operation is applied.</p>
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\ No newline at end of file
......@@ -35,7 +35,7 @@
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......@@ -92,9 +92,9 @@
<li class="toctree-l3"><a class="reference internal" href="#initialize-constrained-gofee-search">Initialize constrained GOFEE search</a></li>
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......@@ -301,7 +301,7 @@ keyword:</p>
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......@@ -93,9 +93,9 @@
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......@@ -35,7 +35,7 @@
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......@@ -87,12 +87,12 @@
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......@@ -275,7 +275,7 @@ in the form of a list of atomic numbers:</p>
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......@@ -95,7 +96,6 @@
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......@@ -334,7 +334,7 @@ To see how these settings are changed, have a look at the other tutorials.</p>
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......
......@@ -169,7 +169,9 @@ class GPR():
def train(self, atoms_list=None, add_data=True):
if atoms_list is not None:
self.memory.save_data(atoms_list, add_data)
assert isinstance(atoms_list, list)
if not len(atoms_list) == 0:
self.memory.save_data(atoms_list, add_data)
self.update_bias()
self.E, self.X, self.prior_values = self.memory.get_data()
......@@ -188,7 +190,9 @@ class GPR():
return
if atoms_list is not None:
self.memory.save_data(atoms_list, add_data)
assert isinstance(atoms_list, list)
if not len(atoms_list) == 0:
self.memory.save_data(atoms_list, add_data)
self.update_bias()
self.E, self.X, self.prior_values = self.memory.get_data()
......
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